Vitas-M small molecule compound

(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(prop-2-en-1-yl)hydrazinecarbothioamide

Catalog ID
STL419459
SMILES C=CCNC(=S)N/N=C/c1ccc2c(c1)OCO2

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C12H13N3O2S MW 263.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O2S/c1-2-5-13-12(18)15-14-7-9-3-4-10-11(6-9)17-8-16-10/h2-4,6-7H,1,5,8H2,(H2,13,15,18)/b14-7+
InChIKey
YAKUNSPHZWTMSV-VGOFMYFVSA-N
Synonyms

(2E)2(13benzodioxol5ylmethylidene)N(prop2en1yl)hydrazinecarbothioamide
1((E)13benzodioxol5ylmethylideneamino)3prop2enylthiourea
C=CCNC(=S)NN=CC1=CC2=C(C=C1)OCO2
C=CCNC(=S)NN=Cc1ccc2c(c1)OCO2
InChI=1SC12H13N3O2Sc1251312(18)151479341011(69)1781610h2467H158H2(H2131518)b147+
MFCD03060197
ZINC000005613125
ZINC36476343

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Available files

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